Task 38666229
| Name | test_391-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7474_1 |
| Workunit | 31609025 |
| Created | 25 Oct 2026, 2:21:47 UTC |
| Sent | 25 Oct 2026, 2:38:48 UTC |
| Report deadline | 30 Oct 2026, 2:38:48 UTC |
| Received | 26 Oct 2026, 21:46:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593343 |
| Run time | 1 hours 6 min 10 sec |
| CPU time | 1 hours 0 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 2,906.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.27 MB |
| Peak swap size | 5.23 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:38:59 (63508): wrapper (7.9.26016): starting
20:38:59 (63508): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
20:39:01 (63508): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:39:01 (63508): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'E:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'E:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835516} normal block at 0x000002AA124EF250, 8 bytes long.
Data: < L > 00 00 4C 12 AA 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x000002AA145B46F0, 1080 bytes long.
Data: < > F8 06 01 00 CD CD CD CD C8 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002AA124EDE50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:33:08 (66392): wrapper (7.9.26016): starting
06:33:09 (66392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\ProgramData\BOINC\slots\0\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
06:44:55 (66392): C:/Windows/system32/cmd.exe exited; CPU time 625.171875
06:44:55 (66392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 15616338 bytes.
Dumping objects ->
{1870} normal block at 0x000002353A194C70, 48 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1859} normal block at 0x000002353A194D50, 48 bytes long.
Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1848} normal block at 0x000002353A194FF0, 48 bytes long.
Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61
{1837} normal block at 0x000002353A194E30, 48 bytes long.
Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1826} normal block at 0x000002353A195220, 48 bytes long.
Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61
{1795} normal block at 0x000002353A17F0F0, 64 bytes long.
Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44
{1784} normal block at 0x000002353A17B790, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1780} normal block at 0x000002353A196660, 8 bytes long.
Data: < c:5 > 00 00 63 3A 35 02 00 00
{1034} normal block at 0x000002353A17E730, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{301} normal block at 0x000002353A195A30, 8 bytes long.
Data: < n :5 > 10 6E 19 3A 35 02 00 00
{292} normal block at 0x000002353A1864A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002353A196840, 16 bytes long.
Data: < m :5 > 18 6D 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002353A195D00, 16 bytes long.
Data: < l :5 > F0 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002353A193CC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002353A1967F0, 16 bytes long.
Data: < l :5 > C8 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002353A195E90, 16 bytes long.
Data: < l :5 > A0 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002353A195EE0, 16 bytes long.
Data: <xl :5 > 78 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002353A196430, 16 bytes long.
Data: <Pl :5 > 50 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002353A194F80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002353A1968E0, 16 bytes long.
Data: < :5 > B8 93 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002353A194440, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002353A195CB0, 16 bytes long.
Data: < :5 > 90 93 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002353A1967A0, 16 bytes long.
Data: <h :5 > 68 93 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002353A195C60, 16 bytes long.
Data: <@ :5 > 40 93 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002353A195DF0, 16 bytes long.
Data: < :5 > 18 93 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002353A195F30, 16 bytes long.
Data: < :5 > F0 92 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002353A1965C0, 16 bytes long.
Data: < :5 > C8 92 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002353A194560, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002353A196750, 16 bytes long.
Data: < :5 > A0 92 18 3A 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002353A1892A0, 320 bytes long.
Data: <Pg :5 `E :5 > 50 67 19 3A 35 02 00 00 60 45 19 3A 35 02 00 00
{271} normal block at 0x000002353A196390, 16 bytes long.
Data: <0l :5 > 30 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002353A195E40, 16 bytes long.
Data: < l :5 > 08 6C 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002353A194500, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002353A196520, 16 bytes long.
Data: < k :5 > E0 6B 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002353A1944A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002353A195F80, 16 bytes long.
Data: <(k :5 > 28 6B 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002353A195FD0, 16 bytes long.
Data: < k :5 > 00 6B 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002353A196570, 16 bytes long.
Data: < j :5 > D8 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002353A1963E0, 16 bytes long.
Data: < j :5 > B0 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002353A196340, 16 bytes long.
Data: < j :5 > 88 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002353A196890, 16 bytes long.
Data: <`j :5 > 60 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002353A196200, 16 bytes long.
Data: < M :5 > C0 4D 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002353A194DC0, 40 bytes long.
Data: < b :5 :5 > 00 62 19 3A 35 02 00 00 F0 F0 17 3A 35 02 00 00
{257} normal block at 0x000002353A1966B0, 16 bytes long.
Data: <@j :5 > 40 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002353A196980, 16 bytes long.
Data: < j :5 > 18 6A 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002353A194140, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002353A196610, 16 bytes long.
Data: < i :5 > F0 69 19 3A 35 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002353A1969F0, 992 bytes long.
Data: < f :5 @A :5 > 10 66 19 3A 35 02 00 00 40 41 19 3A 35 02 00 00
{89} normal block at 0x000002353A194620, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002353A18F660, 16 bytes long.
Data: < :5 > 80 F0 17 3A 35 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002353A17F080, 40 bytes long.
Data: <` :5 F :5 > 60 F6 18 3A 35 02 00 00 20 46 19 3A 35 02 00 00
{64} normal block at 0x000002353A18F390, 16 bytes long.
Data: < ) > 80 EA F1 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002353A18F520, 16 bytes long.
Data: <@ ) > 40 E9 F1 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002353A18F1B0, 16 bytes long.
Data: < W ) > F8 57 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002353A18F570, 16 bytes long.
Data: < W ) > D8 57 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002353A18F980, 16 bytes long.
Data: <P ) > 50 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002353A18F160, 16 bytes long.
Data: <0 ) > 30 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002353A18EF30, 16 bytes long.
Data: < ) > E0 02 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002353A18EE40, 16 bytes long.
Data: < ) > 10 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002353A18EF80, 16 bytes long.
Data: <p ) > 70 04 EE 29 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002353A18F070, 16 bytes long.
Data: < ) > 18 C0 EC 29 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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